ChemSpider 2D Image | 5-(4-METHOXYPHENOXY)-2-(METHYLTHIO)PYRIMIDINE-4,6-DIOL | C12H12N2O4S

5-(4-METHOXYPHENOXY)-2-(METHYLTHIO)PYRIMIDINE-4,6-DIOL

  • Molecular FormulaC12H12N2O4S
  • Average mass280.300 Da
  • Monoisotopic mass280.051788 Da
  • ChemSpider ID28555802

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1375064-42-8 [RN]
4(3H)-Pyrimidinone, 6-hydroxy-5-(4-methoxyphenoxy)-2-(methylthio)-
4,6-Pyrimidinediol, 5-(4-methoxyphenoxy)-2-(methylthio)- [ACD/Index Name]
5-(4-METHOXYPHENOXY)-2-(METHYLTHIO)PYRIMIDINE-4,6-DIOL
6-Hydroxy-5-(4-methoxyphenoxy)-2-(methylsulfanyl)-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-Hydroxy-5-(4-methoxyphenoxy)-2-(methylsulfanyl)-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-Hydroxy-5-(4-méthoxyphénoxy)-2-(méthylsulfanyl)-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
[1375064-42-8] [RN]
4-hydroxy-5-(4-methoxyphenoxy)-2-methylsulfanyl-1H-pyrimidin-6-one
5369-19-7 [RN]
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 439.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±3.0 kJ/mol
    Flash Point: 219.8±28.7 °C
    Index of Refraction: 1.675
    Molar Refractivity: 70.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): -1.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 82.6±5.0 dyne/cm
    Molar Volume: 188.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement